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기본 정보
- CAS
709-50-2- 표준 SMILES
CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
HOVAGTYPODGVJG-XUUWZHRGSA-N- 분자식
- C7H14O6
- 평균 분자량
- 194.18 g/mol
- 단동위원소 질량
- 194.07903817
개요
Methyl beta-D-glucopyranoside is a beta-D-glucopyranoside having a methyl substituent at the anomeric position. It is a beta-D-glucoside and a methyl D-glucoside.
이름 및 식별자
- 우선 이름
- Methyl beta-D-glucopyranoside
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
이름 및 동의어
Methyl beta-D-glucopyranoside709-50-2Methyl beta-D-glucosideO1-Methyl-Glucosebeta-Methylglucosidebeta-Methyl-D-glucosideMethyl |A-D-glucopyranoside1-O-Methyl-beta-D-glucopyranosideMethyl-beta-D-glucopyranosideMFCD00006602beta-D-Glucopyranoside, methylMethyl b-D-glucopyranoside
이름 더 보기
beta-d-MethylglucopyranosideMethyl hexopyranoside(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol1-O-methyl-beta-D-glucopyranoseCHEBI:320055EINECS 211-909-9A-D-Glucopyranoside, methylCHEMBL132186
데이터베이스 식별자
- CAS
709-50-2- PubChem CID
- 445238
- DTXSID
DTXSID20883559- ChEMBL
CHEMBL132186- ChEBI
CHEBI:320055- EC Number
- 211-909-9
- Nikkaji
- J109.292H
물성
구조 계산 물성보충 중
- XLogP
- -2.2
- 극성 표면적
- 99.4 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 163
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesChemical shift
Melting Point108 - 110 °C
Physical DescriptionSolid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information.beta.-D-Glucopyranoside, methyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
General Manufacturing Information.beta.-D-Glucopyranoside, methyl: ACTIVE
관련 반응
7건
화합물 노트
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